SCHEMBL9749398

SCHEMBL9749398

CC1(C)CCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HSPB1 P04792 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
DAGLA Q9Y4D2 3/20 0.40
ABHD6 Q9BV23 2/20 0.40
PPARD Q03181 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9748963 0.85 HSPB1 (0.50) RAB9ANPC1ALDH1A1MAPTHSPB1
SCHEMBL7574122 0.85 MALT1 (0.51) RAB9ANPC1ALDH1A1MAPTMALT1
SCHEMBL9749356 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APPARG
SCHEMBL9749254 0.78 PPARG (0.39) PPARGPPARADAGLAABHD6PPARD
SCHEMBL7766759 0.76 MALT1 (0.51) RAB9ANPC1ALDH1A1MAPTMALT1
SCHEMBL4972696 0.76 CA2 (0.49) MAPTMALT1PPARA
SCHEMBL31260287 0.76 CA2 (0.49) MAPTMALT1PPARA
SCHEMBL9749284 0.75 SCN9A (0.43) PPARGPPARADAGLAABHD6PPARD
SCHEMBL16137771 0.75 SCN9A (0.41) RAB9ANPC1MAPTMALT1PPARG
SCHEMBL9748346 0.72 KDM4E (0.42) RAB9ANPC1ALDH1A1MAPTHSPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed